butyl 2-[(2S)-1-[(3-chlorophenyl)carbamoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-[(3-chlorophenyl)carbamoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-[(3-chlorophenyl)carbamoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(3-chloroanilino)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[(3-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(3-chlorophenyl)carbamoyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H22ClN3O4/c1-2-3-9-25-15(22)11-14-16(23)19-7-8-21(14)17(24)20-13-6-4-5-12(18)10-13/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,24)/t14-/m0/s1